Abstract
A single-crystal x-ray structure analysis of one form of a compound with empirical formula MnC 7H 9O 5N 2, previously postulated to be seven-coordinated, has been completed. The crystals are tetragona, space group I 4 1 a , 16 molecules per unit cell with unit cell dimensions a=b=19.91± 0.05 and c=11.09± 0.05Å, and a calculated density of 1.45 g cm 3 . Using three dimensional scintillation-counter data and a full matrix anisotropic least-squares analysis, the refinement of all non-hydrogen atoms has yielded a final unweighted reliability index of 9.5% for 1315 observed reflections. The configuration about the manganese atom is approximately octahedral, the ligands being four carbonyl groups, one methylamine group, and oneN-methylcarboxamido group. The manganese-carbonyl distances are of two types, 1.847± 0.011 and 1.775± 0.013 Å. The shorter distance occurs trans to the methylamine group. The N-Methylcarboxamido group is planar, due to partial double bond character of the C-N bond. All other bond distances and angles are reasonable when van der Waals interactions are considered.
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